CID 199661

Piperidine, 1-(antipyrinylsulfonyl)-

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3
InChI
InChI=1S/C16H21N3O3S/c1-13-15(23(21,22)18-11-7-4-8-12-18)16(20)19(17(13)2)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKey
LBNFRZIJDKHVQI-UHFFFAOYSA-N
Compound name
1,5-dimethyl-2-phenyl-4-piperidin-1-ylsulfonylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.13037 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 178.7
[M+Na]+ 358.11959 187.6
[M-H]- 334.12309 185.1
[M+NH4]+ 353.16419 190.8
[M+K]+ 374.09353 182.5
[M+H-H2O]+ 318.12763 170.1
[M+HCOO]- 380.12857 191.0
[M+CH3COO]- 394.14422 205.7
[M+Na-2H]- 356.10504 177.6
[M]+ 335.12982 179.6
[M]- 335.13092 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.